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Substance Name: Ethanethiol, 2-(N-(2-cyclohexylbutyl)-N-ethylamino)-, hydrogen sulfate (ester)
RN: 38914-41-9
InChIKey: RGUGEMMPDGOYNQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H29-N-O3-S2

Molecular Weight

  • 323.5191
 
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Names and Synonyms

Synonyms

  • 2-(N-(2-Cyclohexylbutyl)-N-ethylamino)ethanethiol, hydrogen sulfate (ester)
  • BRN 2984157

Systematic Name

  • Ethanethiol, 2-(N-(2-cyclohexylbutyl)-N-ethylamino)-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 38914-41-9

System Generated Number

  • 0038914419

Structure Descriptors

InChI

1S/C14H29NO3S2/c1-3-13(14-8-6-5-7-9-14)12-15(4-2)10-11-19-20(16,17)18/h13-14H,3-12H2,1-2H3,(H,16,17,18)

InChIKey

RGUGEMMPDGOYNQ-UHFFFAOYSA-N

Smiles

CCC(CN(CC)CCSS(=O)(=O)O)C1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 560mg/kg (560mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 968, 1972.